Structure and energetics of the anisole-Ar-n (n=1, 2, 3) complexes: high-resolution resonant two-photon and threshold ionization experiments, and quantum chemical calculations

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F15%3A33157544" target="_blank" >RIV/61989592:15310/15:33157544 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388963:_____/15:00444782

Výsledek na webu

<a href="http://pubs.rsc.org/en/content/articlehtml/2015/cp/c5cp01166c" target="_blank" >http://pubs.rsc.org/en/content/articlehtml/2015/cp/c5cp01166c</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c5cp01166c" target="_blank" >10.1039/c5cp01166c</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Structure and energetics of the anisole-Ar-n (n=1, 2, 3) complexes: high-resolution resonant two-photon and threshold ionization experiments, and quantum chemical calculations

Popis výsledku v původním jazyce

We present a concerted experimental and theoretical study of the anisole center dot center dot center dot Ar-n complexes with n = 1-3. Experimentally, anisole was seeded into a pulsed supersonic argon jet producing a molecular beam. Resonant two-photon,two-colour ionisation (R2PI) spectra of anisole center dot center dot center dot Ar-n complexes with n = 1-3 were obtained. Also, the photodissociation of the (1 : 1) cluster was probed synchronously by - Zero Electron Kinetic Energy Photoelectron Spectroscopy (ZEKE) - and - Mass Resolved Threshold Ionization (MATI) - measuring electrons and ions obtained from pulsed field ionization of high-n Rydberg states upon two-colour laser excitation. The experimental results are compared to quantum chemical calculations at the DFT-D3 (B-LYP/def2-QZVP level with Grimme's D3 dispersion correction) level. Structure and energetics due to microsolvation effects by the direct interaction of the argon atoms with the pi-system were evaluated. The experi

Název v anglickém jazyce

Structure and energetics of the anisole-Ar-n (n=1, 2, 3) complexes: high-resolution resonant two-photon and threshold ionization experiments, and quantum chemical calculations

Popis výsledku anglicky

We present a concerted experimental and theoretical study of the anisole center dot center dot center dot Ar-n complexes with n = 1-3. Experimentally, anisole was seeded into a pulsed supersonic argon jet producing a molecular beam. Resonant two-photon,two-colour ionisation (R2PI) spectra of anisole center dot center dot center dot Ar-n complexes with n = 1-3 were obtained. Also, the photodissociation of the (1 : 1) cluster was probed synchronously by - Zero Electron Kinetic Energy Photoelectron Spectroscopy (ZEKE) - and - Mass Resolved Threshold Ionization (MATI) - measuring electrons and ions obtained from pulsed field ionization of high-n Rydberg states upon two-colour laser excitation. The experimental results are compared to quantum chemical calculations at the DFT-D3 (B-LYP/def2-QZVP level with Grimme's D3 dispersion correction) level. Structure and energetics due to microsolvation effects by the direct interaction of the argon atoms with the pi-system were evaluated. The experi

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2015

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

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Svazek periodika

17

Číslo periodika v rámci svazku

19

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

12530-12537

Kód UT WoS článku

000354195300014

EID výsledku v databázi Scopus

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